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Overview of CAS 884-35-5

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4CN-1154
PharmaCompass
  • Chemistry
4CN-1154
Also known as: Methyl syringate, 884-35-5, Methyl 3,5-dimethoxy-4-hydroxybenzoate, Benzoic acid, 4-hydroxy-3,5-dimethoxy-, methyl ester, Syringic acid methyl ester, Methyl 4-hydroxy-3,5-dimethoxy-benzoate
Molecular Formula
C10H12O5
Molecular Weight
212.201  g/mol
InChI Key
ZMXJAEGJWHJMGX-UHFFFAOYSA-N

1 2D Structure

4CN-1154

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 4-hydroxy-3,5-dimethoxybenzoate
2.1.2 InChI
InChI=1S/C10H12O5/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3
2.1.3 InChI Key
ZMXJAEGJWHJMGX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC(=CC(=C1O)OC)C(=O)OC
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Methyl Syringate

2.2.2 Depositor-Supplied Synonyms

1. Methyl Syringate

2. 884-35-5

3. Methyl 3,5-dimethoxy-4-hydroxybenzoate

4. Benzoic Acid, 4-hydroxy-3,5-dimethoxy-, Methyl Ester

5. Syringic Acid Methyl Ester

6. Methyl 4-hydroxy-3,5-dimethoxy-benzoate

7. Chebi:45820

8. Zmxjaegjwhjmgx-uhfffaoysa-n

9. Sbb016976

10. Acmc-1bjig

11. Ai3-36426

12. Ac1l2dhq

13. Bmse010225

14. Ksc496o5n

15. Schembl159392

16. Syringic Acid Monomethyl Ester

17. Ac1q433e

18. Ac1q5z61

19. Rarechem Al Bf 0102

20. Chembl1236122

21. Ctk3j6756

22. Ks-00000fwp

23. Timtec-bb Sbb016976

24. Dtxsid00237016

25. Molport-000-555-513

26. Zinc394334

27. Anw-39013

28. Cm-359

29. Mfcd00017199

30. Nsc611398

31. Akos002911941

32. As01311

33. Cs-w002116

34. Db08589

35. Ds-2684

36. Nsc-611398

37. Rtr-027767

38. Methyl 3,5-dimethoxy-4-hydroxy-benzoate

39. 4cn-1154

40. Aj-21367

41. Ak105185

42. An-47924

43. Cj-03613

44. Sc-19843

45. Sy032894

46. Zb012353

47. Methyl (4-hydroxy-3,5-dimethoxy)benzoate

48. 530-57-4, Me

49. Ab0020087

50. Db-057070

51. St2413410

52. Tl8005730

53. Tr-027767

54. Ft-0633079

55. M2806

56. St50307269

57. V0840

58. Mfcd00017199 (97%)

59. M-2076

60. 4-hydroxy-3,5-dimethoxybenzoic Acid Methyl Ester

61. 884m355

62. I01-1223

63. 3,5,dimethoxy 4 Hydroxy Benzoic Acid Methyl Ester

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 212.201 g/mol
Molecular Formula C10H12O5
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass212.068 g/mol
Monoisotopic Mass212.068 g/mol
Topological Polar Surface Area65 A^2
Heavy Atom Count15
Formal Charge0
Complexity204
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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